#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xg1 s SER 2 N 0.00 -0.86 -1.19 1.61 0.15 -1.26 -5.05 113.70 107.10 1xg1 s SER 2 Ca 0.00 1.19 -0.08 0.00 0.70 0.00 0.00 55.95 57.76 1xg1 s SER 2 Cb 0.00 1.97 -0.07 0.00 -1.71 0.00 0.00 66.02 66.21 1xg1 s SER 2 CO 0.00 -0.17 2.96 1.41 1.20 0.00 0.00 173.24 178.65 1xg1 n HIS 3 N 5.18 1.95 -3.13 3.44 -0.00 -1.26 -4.61 115.22 116.80 1xg1 n HIS 3 Ca -0.11 -2.67 -0.25 0.00 -0.00 0.00 0.00 57.72 54.69 1xg1 n HIS 3 Cb 0.51 -2.13 -0.05 0.00 -0.00 0.00 0.00 29.99 28.32 1xg1 n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1xg1 n MET 4 N 2.83 2.46 -2.35 -0.41 0.00 -1.26 -5.08 117.12 113.31 1xg1 n MET 4 Ca 0.67 -4.42 -0.41 0.00 0.00 0.00 0.00 57.70 53.53 1xg1 n MET 4 Cb 0.38 -2.06 -0.03 0.00 0.00 0.00 0.00 33.22 31.50 1xg1 n MET 4 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1xg1 s GLU 5 N -2.85 4.47 0.00 0.03 8.01 -1.26 -4.98 118.70 122.12 1xg1 s GLU 5 Ca 0.44 1.90 0.00 0.00 0.01 0.00 0.00 54.97 57.32 1xg1 s GLU 5 Cb 0.25 -3.24 0.00 0.00 -4.31 0.00 0.00 34.13 26.83 1xg1 s GLU 5 CO -0.09 -0.13 0.00 -0.40 0.01 0.00 0.00 175.26 174.65 1xg1 n ASP 6 N 2.63 0.00 0.00 -0.19 5.68 -1.26 -4.98 116.55 118.42 1xg1 n ASP 6 Ca 0.05 -0.94 0.00 0.00 -0.50 0.00 0.00 54.79 53.40 1xg1 n ASP 6 Cb 0.44 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1xg1 n ASP 6 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1xg1 n SER 7 N -0.61 2.05 0.03 -1.12 2.88 -0.89 -4.85 113.62 111.11 1xg1 n SER 7 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1xg1 n SER 7 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1xg1 n SER 7 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1xg1 n THR 8 N 0.00 0.00 -0.07 2.46 -1.04 -1.26 -1.46 114.28 112.92 1xg1 n THR 8 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1xg1 n THR 8 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1xg1 n THR 8 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1xg1 h THR 9 N 0.00 1.30 -2.38 12.58 2.02 -1.98 -3.42 112.91 121.03 1xg1 h THR 9 Ca 0.00 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 1xg1 h THR 9 Cb 0.00 1.63 -0.16 0.00 -1.74 0.00 0.00 68.15 67.88 1xg1 h THR 9 CO 0.00 0.33 0.28 0.54 0.37 0.00 0.00 175.52 177.04 1xg1 s ASN 10 N -6.02 -0.55 0.03 4.18 4.22 -1.26 -5.02 114.94 110.52 1xg1 s ASN 10 Ca -0.14 0.30 0.00 0.00 -2.14 0.00 0.00 52.86 50.88 1xg1 s ASN 10 Cb 0.06 0.51 0.00 0.00 1.28 0.00 0.00 41.25 43.11 1xg1 s ASN 10 CO 0.75 -0.72 0.00 -0.38 -2.04 0.00 0.00 177.10 174.70 1xg1 n ILE 11 N 0.21 -8.22 0.00 0.54 5.41 -1.26 -4.43 119.36 111.62 1xg1 n ILE 11 Ca -0.16 1.75 0.00 0.00 1.00 0.00 0.00 62.75 65.34 1xg1 n ILE 11 Cb 0.61 -4.51 0.00 0.00 -0.71 0.00 0.00 39.64 35.02 1xg1 n ILE 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1xg1 n THR 12 N 1.00 0.00 -1.37 1.39 -1.04 -1.26 -3.87 114.28 109.12 1xg1 n THR 12 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 1xg1 n THR 12 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 1xg1 n THR 12 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1xg1 n LYS 13 N 0.00 -1.03 -2.54 -2.82 5.02 -1.26 -4.36 118.16 111.17 1xg1 n LYS 13 Ca 0.00 0.68 -0.43 0.00 -2.02 0.00 0.00 58.31 56.54 1xg1 n LYS 13 Cb 0.00 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1xg1 n LYS 13 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1xg1 n LYS 14 N -2.12 3.33 -0.76 1.97 3.00 -0.53 -2.09 118.16 120.96 1xg1 n LYS 14 Ca 0.00 -3.47 -0.07 0.00 -0.00 0.00 0.00 58.31 54.78 1xg1 n LYS 14 Cb 0.23 -3.15 -0.09 0.00 0.00 0.00 0.00 35.03 32.02 1xg1 n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xg1 n GLN 15 N 5.86 1.52 -2.08 1.64 10.64 -1.26 -4.92 117.38 128.77 1xg1 n GLN 15 Ca 0.42 -0.56 -0.39 0.00 -1.83 0.00 0.00 57.00 54.65 1xg1 n GLN 15 Cb 0.41 -1.57 -0.00 0.00 -0.86 0.00 0.00 30.24 28.22 1xg1 n GLN 15 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1xg1 s LYS 16 N 0.65 3.86 -0.10 2.61 0.00 -1.26 -5.03 119.74 120.48 1xg1 s LYS 16 Ca 0.37 2.08 0.02 0.00 0.00 0.00 0.00 55.97 58.44 1xg1 s LYS 16 Cb 0.18 -2.65 -0.01 0.00 0.00 0.00 0.00 37.83 35.35 1xg1 s LYS 16 CO 0.00 -0.55 -0.17 -1.58 0.00 0.00 0.00 175.35 173.04 1xg1 s TRP 17 N -1.32 2.69 0.56 1.78 0.52 -1.26 -5.12 118.94 116.79 1xg1 s TRP 17 Ca 0.59 -0.66 -0.15 0.00 0.02 0.00 0.00 56.10 55.90 1xg1 s TRP 17 Cb -0.36 -1.75 -0.06 0.00 -1.15 0.00 0.00 33.47 30.15 1xg1 s TRP 17 CO 0.46 -0.19 1.01 0.95 0.02 0.00 0.00 176.95 179.19 1xg1 s THR 18 N 0.11 4.53 0.24 2.01 -4.23 -1.26 -4.89 115.64 112.14 1xg1 s THR 18 Ca -0.08 1.07 -0.05 0.00 -1.18 0.00 0.00 61.69 61.45 1xg1 s THR 18 Cb -0.15 -3.74 0.21 0.00 1.34 0.00 0.00 72.50 70.16 1xg1 s THR 18 CO 0.05 -0.83 1.84 1.62 -0.54 0.00 0.00 174.62 176.77 1xg1 h VAL 19 N 0.45 1.02 -0.27 2.29 3.04 -1.99 -0.80 116.25 119.98 1xg1 h VAL 19 Ca -0.46 -0.32 -0.04 0.00 -1.01 0.00 0.00 66.70 64.87 1xg1 h VAL 19 Cb 1.19 -0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 1xg1 h VAL 19 CO 0.61 0.17 0.02 -0.08 -1.01 0.00 0.00 177.57 177.28 1xg1 h GLU 20 N 0.94 0.46 -0.74 4.17 4.57 -1.99 -0.66 114.58 121.34 1xg1 h GLU 20 Ca 0.38 -0.14 0.08 0.00 -1.18 0.00 0.00 59.36 58.50 1xg1 h GLU 20 Cb 0.21 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.68 1xg1 h GLU 20 CO -0.19 0.60 0.40 0.93 -1.18 0.00 0.00 179.01 179.58 1xg1 h GLU 21 N 0.26 0.68 -0.42 1.92 5.08 -1.82 -1.02 114.58 119.26 1xg1 h GLU 21 Ca 0.08 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1xg1 h GLU 21 Cb 0.38 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1xg1 h GLU 21 CO 0.01 0.45 -0.14 0.77 -1.00 0.00 0.00 179.01 179.10 1xg1 h SER 22 N 0.70 0.76 -0.32 1.42 0.02 -0.96 -2.75 113.55 112.41 1xg1 h SER 22 Ca 0.35 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1xg1 h SER 22 Cb 0.30 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1xg1 h SER 22 CO -0.23 0.91 0.06 -0.33 -1.14 0.00 0.00 176.83 176.10 1xg1 h GLU 23 N 0.69 0.63 -0.45 3.45 4.39 0.13 -2.53 114.58 120.88 1xg1 h GLU 23 Ca 0.11 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1xg1 h GLU 23 Cb 0.62 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1xg1 h GLU 23 CO 0.04 0.61 0.24 -1.49 -1.16 0.00 0.00 179.01 177.24 1xg1 h TRP 24 N 0.60 0.63 -0.86 4.33 6.55 -1.00 0.17 115.95 126.38 1xg1 h TRP 24 Ca 0.13 -0.02 -0.03 0.00 0.95 0.00 0.00 58.89 59.92 1xg1 h TRP 24 Cb 0.29 -0.20 -0.04 0.00 -0.86 0.00 0.00 29.16 28.36 1xg1 h TRP 24 CO 0.01 0.49 0.43 -0.39 -1.05 0.00 0.00 178.44 177.93 1xg1 h VAL 25 N 0.59 1.26 -0.22 1.49 -1.51 -1.42 0.22 116.25 116.66 1xg1 h VAL 25 Ca 0.16 -0.71 -0.03 0.00 -1.23 0.00 0.00 66.70 64.89 1xg1 h VAL 25 Cb 0.08 0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.38 1xg1 h VAL 25 CO -0.02 0.31 0.04 0.50 -1.23 0.00 0.00 177.57 177.16 1xg1 h LYS 26 N 1.21 0.36 -0.52 5.19 3.64 -1.04 -0.64 116.57 124.77 1xg1 h LYS 26 Ca 0.30 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1xg1 h LYS 26 Cb 0.10 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1xg1 h LYS 26 CO -0.04 0.50 0.26 0.00 -2.27 0.00 0.00 179.45 177.90 1xg1 h ALA 27 N 0.84 0.67 -0.71 5.00 0.00 -0.35 -2.17 119.26 122.55 1xg1 h ALA 27 Ca 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1xg1 h ALA 27 Cb 0.32 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1xg1 h ALA 27 CO 0.00 0.22 0.32 0.78 0.00 0.00 0.00 179.25 180.57 1xg1 h GLY 28 N 0.69 1.10 1.03 0.00 0.00 -0.42 0.40 103.07 105.87 1xg1 h GLY 28 Ca 0.18 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1xg1 h GLY 28 CO -0.02 0.52 0.29 -2.08 0.00 0.00 0.00 176.54 175.24 1xg1 h VAL 29 N 1.01 1.25 -0.02 4.60 2.07 -0.75 0.60 116.25 125.01 1xg1 h VAL 29 Ca 0.24 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 1xg1 h VAL 29 Cb 0.13 0.41 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1xg1 h VAL 29 CO -0.03 0.31 -0.42 -0.61 0.02 0.00 0.00 177.57 176.85 1xg1 h GLN 30 N 1.03 0.33 0.01 1.57 -0.00 -0.92 -2.61 115.11 114.51 1xg1 h GLN 30 Ca 0.24 -0.32 -0.00 0.00 -0.00 0.00 0.00 58.65 58.57 1xg1 h GLN 30 Cb 0.21 0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.77 1xg1 h GLN 30 CO -0.02 1.00 -0.00 -0.22 0.00 0.00 0.00 178.83 179.58 1xg1 h LYS 31 N -0.22 -0.01 0.00 1.69 3.64 -0.16 -3.41 116.57 118.10 1xg1 h LYS 31 Ca -0.05 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1xg1 h LYS 31 Cb 1.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1xg1 h LYS 31 CO 0.08 0.69 -0.25 1.88 -2.27 0.00 0.00 179.45 179.58 1xg1 h TYR 32 N -0.99 0.00 0.00 1.91 -1.99 -0.07 -3.50 116.97 112.33 1xg1 h TYR 32 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xg1 h TYR 32 Cb 0.70 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.43 1xg1 h TYR 32 CO 0.19 0.61 0.00 0.41 -0.00 0.00 0.00 178.16 179.37 1xg1 n GLY 33 N 1.64 4.12 3.63 3.88 0.00 -0.09 -4.98 105.19 113.39 1xg1 n GLY 33 Ca -0.09 -1.03 -0.50 0.00 0.00 0.00 0.00 46.02 44.40 1xg1 n GLY 33 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xg1 n GLU 34 N -0.08 1.60 0.00 1.61 2.13 -1.13 -2.17 120.64 122.60 1xg1 n GLU 34 Ca 0.00 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.40 1xg1 n GLU 34 Cb 0.00 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.43 1xg1 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xg1 n GLY 35 N 3.08 1.97 2.10 8.31 0.00 -1.26 -4.97 105.19 114.43 1xg1 n GLY 35 Ca 0.19 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.43 1xg1 n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xg1 n ASN 36 N 0.07 5.99 -0.22 1.61 3.02 -0.92 -4.57 115.26 120.23 1xg1 n ASN 36 Ca 0.00 -2.57 -0.07 0.00 -0.03 0.00 0.00 54.58 51.91 1xg1 n ASN 36 Cb 0.00 -1.43 0.03 0.00 -0.61 0.00 0.00 39.78 37.78 1xg1 n ASN 36 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1xg1 h TRP 37 N 3.36 0.88 -0.51 3.10 4.06 -1.89 -1.54 115.95 123.41 1xg1 h TRP 37 Ca 0.33 -0.04 0.03 0.00 2.06 0.00 0.00 58.89 61.27 1xg1 h TRP 37 Cb 1.22 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 29.07 1xg1 h TRP 37 CO 1.78 0.66 0.29 0.00 -3.56 0.00 0.00 178.44 177.61 1xg1 h ALA 38 N 1.13 0.66 -0.55 1.49 0.00 -1.86 0.19 119.26 120.31 1xg1 h ALA 38 Ca 0.21 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1xg1 h ALA 38 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1xg1 h ALA 38 CO -0.03 -0.02 0.19 0.00 0.00 0.00 0.00 179.25 179.40 1xg1 h ALA 39 N 1.24 0.72 -0.38 0.00 0.00 -1.88 -1.23 119.26 117.73 1xg1 h ALA 39 Ca 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xg1 h ALA 39 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xg1 h ALA 39 CO -0.11 0.36 0.18 0.82 0.00 0.00 0.00 179.25 180.49 1xg1 h ILE 40 N 0.76 1.17 -0.58 0.00 2.04 -0.72 -1.50 117.51 118.69 1xg1 h ILE 40 Ca 0.18 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1xg1 h ILE 40 Cb 0.24 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1xg1 h ILE 40 CO -0.01 0.18 0.30 -1.28 0.00 0.00 0.00 178.15 177.34 1xg1 h SER 41 N 0.47 0.72 -0.00 1.72 0.87 -0.45 0.24 113.55 117.12 1xg1 h SER 41 Ca 0.13 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1xg1 h SER 41 Cb 0.13 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1xg1 h SER 41 CO -0.02 0.60 -0.00 0.50 -0.53 0.00 0.00 176.83 177.38 1xg1 h LYS 42 N 0.81 0.00 0.03 2.24 3.64 -0.84 -3.37 116.57 119.09 1xg1 h LYS 42 Ca 0.21 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1xg1 h LYS 42 Cb 0.05 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1xg1 h LYS 42 CO -0.03 0.41 -0.01 -0.91 -2.27 0.00 0.00 179.45 176.64 1xg1 h ASN 43 N -0.40 -0.03 -4.03 4.20 2.35 -1.15 -3.46 115.58 113.05 1xg1 h ASN 43 Ca 0.00 -0.65 -0.51 0.00 -0.55 0.00 0.00 56.30 54.59 1xg1 h ASN 43 Cb 0.41 0.01 0.08 0.00 0.05 0.00 0.00 38.32 38.87 1xg1 h ASN 43 CO 0.00 0.75 0.49 -0.31 -1.65 0.00 0.00 177.43 176.71 1xg1 s TYR 44 N -2.49 2.70 0.00 1.19 1.51 0.85 -4.87 117.35 116.24 1xg1 s TYR 44 Ca -0.14 1.51 -0.01 0.00 -1.01 0.00 0.00 57.07 57.42 1xg1 s TYR 44 Cb -0.01 -3.44 -0.04 0.00 -0.11 0.00 0.00 41.96 38.36 1xg1 s TYR 44 CO 0.52 -1.80 1.11 -0.35 -1.11 0.00 0.00 175.55 173.92 1xg1 n PRO 45 N -0.84 0.51 -2.25 -1.71 -0.04 -1.26 -4.72 135.00 124.68 1xg1 n PRO 45 Ca 0.09 -0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 62.97 1xg1 n PRO 45 Cb 0.48 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1xg1 n PRO 45 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1xg1 s PHE 46 N 1.76 2.87 -0.29 0.54 0.08 -1.26 -4.98 117.98 116.70 1xg1 s PHE 46 Ca 0.11 0.86 -0.10 0.00 0.12 0.00 0.00 56.93 57.91 1xg1 s PHE 46 Cb 0.05 -3.63 -0.03 0.00 -0.57 0.00 0.00 43.02 38.83 1xg1 s PHE 46 CO 0.00 -2.31 0.17 0.54 -0.10 0.00 0.00 175.22 173.52 1xg1 s VAL 47 N 2.46 5.01 0.00 -0.44 0.11 -1.26 -4.56 120.40 121.72 1xg1 s VAL 47 Ca 0.63 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 1xg1 s VAL 47 Cb -0.30 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.11 1xg1 s VAL 47 CO 0.26 0.19 0.00 -0.46 -3.33 0.00 0.00 175.10 171.76 1xg1 n ASN 48 N 5.03 0.00 -4.66 3.54 0.23 -1.26 -4.91 115.26 113.23 1xg1 n ASN 48 Ca -0.14 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.49 1xg1 n ASN 48 Cb 0.51 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.18 1xg1 n ASN 48 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1xg1 s ARG 49 N 0.00 4.10 0.83 -3.83 3.00 -1.26 -4.98 118.95 116.81 1xg1 s ARG 49 Ca 0.00 2.54 -0.12 0.00 0.00 0.00 0.00 55.73 58.15 1xg1 s ARG 49 Cb 0.00 -4.16 0.09 0.00 0.00 0.00 0.00 34.95 30.88 1xg1 s ARG 49 CO 0.00 -1.00 1.17 0.95 0.00 0.00 0.00 175.30 176.42 1xg1 s THR 50 N 4.61 2.01 0.26 0.02 -4.23 -1.26 -4.90 115.64 112.15 1xg1 s THR 50 Ca 0.88 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.35 1xg1 s THR 50 Cb -0.41 -2.96 0.19 0.00 1.34 0.00 0.00 72.50 70.67 1xg1 s THR 50 CO 0.40 -0.01 1.86 0.00 -0.54 0.00 0.00 174.62 176.33 1xg1 h ALA 51 N -1.14 1.21 -0.87 3.99 0.00 -1.94 -1.97 119.26 118.55 1xg1 h ALA 51 Ca -0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1xg1 h ALA 51 Cb 1.33 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1xg1 h ALA 51 CO 0.65 0.60 0.46 0.28 0.00 0.00 0.00 179.25 181.24 1xg1 h VAL 52 N 1.06 1.26 -0.85 0.00 2.07 -1.93 0.27 116.25 118.13 1xg1 h VAL 52 Ca 0.26 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1xg1 h VAL 52 Cb 0.11 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 1xg1 h VAL 52 CO -0.03 0.30 0.48 0.24 0.02 0.00 0.00 177.57 178.58 1xg1 h MET 53 N 1.23 1.17 -0.33 1.57 2.07 -1.75 0.30 114.93 119.19 1xg1 h MET 53 Ca 0.30 -0.12 -0.07 0.00 -2.07 0.00 0.00 59.70 57.74 1xg1 h MET 53 Cb 0.06 -0.24 -0.01 0.00 -1.87 0.00 0.00 31.60 29.54 1xg1 h MET 53 CO -0.05 0.85 -0.06 0.82 1.07 0.00 0.00 176.91 179.54 1xg1 h ILE 54 N 1.18 1.27 -0.25 -1.22 2.04 -0.65 0.49 117.51 120.38 1xg1 h ILE 54 Ca 0.30 -1.09 0.03 0.00 1.00 0.00 0.00 64.86 65.11 1xg1 h ILE 54 Cb -0.00 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1xg1 h ILE 54 CO -0.05 0.35 0.04 0.50 0.00 0.00 0.00 178.15 178.99 1xg1 h LYS 55 N 0.40 0.13 -0.56 2.37 3.64 0.07 0.70 116.57 123.32 1xg1 h LYS 55 Ca 0.09 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 1xg1 h LYS 55 Cb 0.54 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1xg1 h LYS 55 CO 0.03 0.08 -0.06 0.22 -2.27 0.00 0.00 179.45 177.45 1xg1 h ASP 56 N 0.13 1.00 -0.66 4.20 3.58 -0.32 -2.99 116.42 121.37 1xg1 h ASP 56 Ca 0.11 -0.31 0.02 0.00 0.42 0.00 0.00 57.03 57.27 1xg1 h ASP 56 Cb 0.12 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 40.86 1xg1 h ASP 56 CO -0.16 1.09 0.42 -0.09 -2.88 0.00 0.00 179.24 177.62 1xg1 h ARG 57 N 0.91 0.83 -0.51 0.28 9.65 0.78 0.21 114.38 126.52 1xg1 h ARG 57 Ca 0.15 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 59.01 1xg1 h ARG 57 Cb 0.61 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.97 1xg1 h ARG 57 CO 0.04 0.55 0.30 2.35 2.80 0.00 0.00 179.97 186.01 1xg1 h TRP 58 N 0.85 0.57 -0.36 2.20 -0.00 -0.77 0.15 115.95 118.59 1xg1 h TRP 58 Ca 0.25 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 59.16 1xg1 h TRP 58 Cb -0.04 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 28.92 1xg1 h TRP 58 CO -0.04 0.32 0.21 -0.09 -0.00 0.00 0.00 178.44 178.85 1xg1 h ARG 59 N 0.60 0.48 -0.80 2.65 2.43 -1.23 -1.13 114.38 117.39 1xg1 h ARG 59 Ca 0.21 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1xg1 h ARG 59 Cb 0.03 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 1xg1 h ARG 59 CO -0.10 0.37 0.40 1.79 -1.51 0.00 0.00 179.97 180.91 1xg1 h THR 60 N 0.46 1.25 -0.65 0.20 1.35 0.02 0.83 112.91 116.38 1xg1 h THR 60 Ca 0.13 -0.67 -0.06 0.00 -0.55 0.00 0.00 66.41 65.26 1xg1 h THR 60 Cb 0.01 0.21 -0.03 0.00 -1.73 0.00 0.00 68.15 66.61 1xg1 h THR 60 CO -0.02 0.29 0.17 0.24 -0.25 0.00 0.00 175.52 175.95 1xg1 h MET 61 N 1.13 1.02 -0.64 4.72 2.86 -0.37 -1.01 114.93 122.65 1xg1 h MET 61 Ca 0.28 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1xg1 h MET 61 Cb 0.09 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1xg1 h MET 61 CO -0.04 0.91 0.19 0.87 1.06 0.00 0.00 176.91 179.90 1xg1 h LYS 62 N 0.95 0.98 -0.39 1.72 1.57 -0.66 0.13 116.57 120.86 1xg1 h LYS 62 Ca 0.20 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1xg1 h LYS 62 Cb 0.34 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1xg1 h LYS 62 CO -0.00 0.85 0.25 -0.09 -0.57 0.00 0.00 179.45 179.89 1xg1 h ARG 63 N 0.94 0.51 0.00 3.15 9.65 -0.17 -1.56 114.38 126.91 1xg1 h ARG 63 Ca 0.21 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 59.02 1xg1 h ARG 63 Cb 0.29 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1xg1 h ARG 63 CO -0.01 0.34 -0.15 -0.07 2.80 0.00 0.00 179.97 182.89 1xg1 h LEU 64 N 0.52 0.00 0.00 3.80 3.38 -0.85 -3.47 115.31 118.70 1xg1 h LEU 64 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1xg1 h LEU 64 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1xg1 h LEU 64 CO -0.03 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.26 1xg1 n GLY 65 N 0.29 0.73 1.52 0.83 0.00 0.10 -4.96 105.19 103.70 1xg1 n GLY 65 Ca 0.01 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.27 1xg1 n GLY 65 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xg1 n MET 66 N -1.25 2.56 0.00 1.61 2.00 0.21 -5.00 117.12 117.25 1xg1 n MET 66 Ca 0.00 -3.07 0.12 0.00 0.00 0.00 0.00 57.70 54.76 1xg1 n MET 66 Cb 0.33 -1.99 0.16 0.00 0.00 0.00 0.00 33.22 31.71 1xg1 n MET 66 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24